tert-butyl 4-[2-[(3-azanyl-2-chloranyl-quinolin-4-yl)amino]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3-azanyl-2-chloranyl-quinolin-4-yl)amino]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3-amino-2-chloro-4-quinolyl)amino]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[(3-amino-2-chloro-4-quinolinyl)amino]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3-amino-2-chloroquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(3-amino-2-chloro-4-quinolyl)amino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN4O2 MolecularWeight: 404.93356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCNC2=C(C(=NC3=CC=CC=C32)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCNC2=C(C(=NC3=CC=CC=C32)Cl)N

InChI

InChI=1S/C21H29ClN4O2/c1-21(2,3)28-20(27)26-12-9-14(10-13-26)8-11-24-18-15-6-4-5-7-16(15)25-19(22)17(18)23/h4-7,14H,8-13,23H2,1-3H3,(H,24,25)